methyl (3S,3aR)-3-benzamido-2-oxidanylidene-3-phenyl-3a,4,5,6-tetrahydro-1-benzofuran-7-carboxylate

Systemtic Name: methyl (3S,3aR)-3-benzamido-2-oxidanylidene-3-phenyl-3a,4,5,6-tetrahydro-1-benzofuran-7-carboxylate Openeye Name: methyl (3S,3aR)-3-benzamido-2-oxo-3-phenyl-3a,4,5,6-tetrahydrobenzofuran-7-carboxylate CAS Name: (3S,3aR)-3-benzamido-2-oxo-3-phenyl-3a,4,5,6-tetrahydrobenzofuran-7-carboxylic acid methyl ester IUPAC Name: methyl (3S,3aR)-3-benzamido-2-oxo-3-phenyl-3a,4,5,6-tetrahydro-1-benzofuran-7-carboxylate Traditional Name: (3S,3aR)-3-benzamido-2-keto-3-phenyl-3a,4,5,6-tetrahydrobenzofuran-7-carboxylic acid methyl ester Formula: C23H21NO5 MolecularWeight: 391.41654

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(CCC1)C(C(=O)O2)(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C2[C@H](CCC1)[C@@](C(=O)O2)(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H21NO5/c1-28-21(26)17-13-8-14-18-19(17)29-22(27)23(18,16-11-6-3-7-12-16)24-20(25)15-9-4-2-5-10-15/h2-7,9-12,18H,8,13-14H2,1H3,(H,24,25)/t18-,23+/m0/s1